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Tubulosine

CAT: 0013-GTR19210460-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210460-01Size:25 mg
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Description
Tubulosine is a natural alkaloid that acts as a potent inhibitor of cancer cell proliferation. It is utilized in oncology research for studying mechanisms of cell growth inhibition in both in vitro cell culture and in vivo animal models.
CAS Number
2632-29-3
Smiles
C ([C@@H]1C2=C (C=3C (N2) =CC=C (O) C3) CCN1) [C@H]4C[C@]5 (C=6C (=CC (OC) =C (OC) C6) CCN5C[C@@H]4CC) [H]
Molecular Formula
C29H37N3O3
Molecular Weight
475.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R)-1-(((2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-6-ol

Tubulosine is a member of the class of beta-carbolines that is tubulosan bearing methoxy groups at positions 10 and 11 and a hydroxy group at the 8' position. It is an isoquinoline alkaloid, a member of isoquinolines, a member of phenols, a secondary amino compound, a tertiary amino compound and a member of beta-carbolines. It derives from a hydride of a tubulosan.

CAS Number2632-29-3
PubChem CID72341
IUPAC Name(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol
Molecular FormulaC29H37N3O3
Molecular Weight475.6
XLogP4.6
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity723
SMILES
CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC
InChI
InChI=1S/C29H37N3O3/c1-4-17-16-32-10-8-18-13-27(34-2)28(35-3)15-22(18)26(32)12-19(17)11-25-29-21(7-9-30-25)23-14-20(33)5-6-24(23)31-29/h5-6,13-15,17,19,25-26,30-31,33H,4,7-12,16H2,1-3H3/t17-,19-,25+,26-/m0/s1
InChIKey
JRVWIILYWSBUMC-PRUVNFMMSA-N
Chemical Structure
2D Structure
2D structure of (1R)-1-(((2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-yl)methyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-6-ol
CAS: 2632-29-3
CID: 72341
Formula: C29H37N3O3
MW: 475.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.6
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass475.28349205
Monoisotopic Mass475.28349205
Topological Polar Surface Area69.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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